[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl quinoline-2-carboxylate

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl quinoline-2-carboxylate Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl ester IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)OCC

InChI

InChI=1S/C20H21N3O5/c1-3-13-17(19(25)27-4-2)16(23-20(26)22-13)11-28-18(24)15-10-9-12-7-5-6-8-14(12)21-15/h5-10,13H,3-4,11H2,1-2H3,(H2,22,23,26)/t13-/m0/s1